Identität

Tirofiban

CAS 144494-65-5 · C22H36N2O5S

01Identität

Lazychem IDLC-101158
CAS RN144494-65-5
PubChem CID60947
Molecular formulaC22H36N2O5S
Molecular weight440.6 g/mol
IUPAC name(2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid
InChIKeyCOKMIXFXJJXBQG-NRFANRHFSA-N

02Struktur und Stereochemie

2D structurePubChem CID 60947
Two-dimensional chemical structure of Tirofiban, CAS 144494-65-5
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Ring count2
Secondary amines1
Tertiary amines0
SMILESCCCCS(=O)(=O)N[C@@H](CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O
InChINicht angegeben

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Status in Indien

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Namen und Beziehungen

API und Ausgangsarzneistoff

Nicht angegeben

Namen und Beziehungen

  • tirofiban
  • 144494-65-5
  • Agrastat
  • tirofibanum
  • N-(Butylsulfonyl)-O-(4-(4-piperidyl)butyl)-L-tyrosine
  • (2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid
  • GGX234SI5H
  • MK-383
  • CHEBI:9605
  • L-700462
  • DTXSID20162730
  • (2S)-2-(butane-1-sulfonamido)-3-{4-[4-(piperidin-4-yl)butoxy]phenyl}propanoic acid

Verunreinigungen und verwandte Verbindungen

    06Quellen